6-[5-(4-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-[5-(4-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-[5-(4-nitrophenyl)-2-furyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-[5-(4-nitrophenyl)-2-furanyl]-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-[5-(4-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-[5-(4-nitrophenyl)-2-furyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C23H17N5O4S MolecularWeight: 459.47718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])N=N1

Isomeric SMILES

C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])N=N1

InChI

InChI=1S/C23H17N5O4S/c1-2-13-33-23-25-22-20(26-27-23)16-5-3-4-6-17(16)24-21(32-22)19-12-11-18(31-19)14-7-9-15(10-8-14)28(29)30/h2-12,21,24H,1,13H2